[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine

C12H14Br2N4O — CID 62251107

IUPAC[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2cc(Br)c(Br)o2)n1
InChIInChI=1S/C12H14Br2N4O/c1-12(2,3)8-5-9(18-15)17-11(16-8)7-4-6(13)10(14)19-7/h4-5H,15H2,1-3H3,(H,16,17,18)
InChIKeyNPCVWNADZPTMCJ-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.84
Rot. Bonds2

About [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine

[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 62251107) has the molecular formula C12H14Br2N4O and a molecular weight of 390.08 g/mol. Its IUPAC name is [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID62251107
Molecular FormulaC12H14Br2N4O
Molecular Weight390.08 g/mol
Exact Mass387.95
IUPAC Name[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1cc(NN)nc(-c2cc(Br)c(Br)o2)n1
InChIInChI=1S/C12H14Br2N4O/c1-12(2,3)8-5-9(18-15)17-11(16-8)7-4-6(13)10(14)19-7/h4-5H,15H2,1-3H3,(H,16,17,18)
InChIKeyNPCVWNADZPTMCJ-UHFFFAOYSA-N
XLogP3.84
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine (CID 62251107) is [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1cc(NN)nc(-c2cc(Br)c(Br)o2)n1.
What is the InChIKey of [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is NPCVWNADZPTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4O/c1-12(2,3)8-5-9(18-15)17-11(16-8)7-4-6(13)10(14)19-7/h4-5H,15H2,1-3H3,(H,16,17,18).
What are the key properties of [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine?
[6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 390.08 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).